SCHEMBL5065849

SCHEMBL5065849

O=C(O)CCc1ccccc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
LMNA P02545 4/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 3/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5059797 0.90 LMNA (0.56) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5066180 0.89 PTGDR2 (0.61) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5055791 0.89 ALDH1A1 (0.53) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL8111668 0.89 PTGDR2 (0.51) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5059653 0.88 ALDH1A1 (0.55) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5064456 0.88 LMNA (0.58) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5063841 0.87 ALDH1A1 (0.58) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL8119620 0.84 POLB (0.52) PTGDR2LMNAPOLBALDH1A1KDM4E
SCHEMBL5059450 0.83 MEN1 (0.67) LMNAPOLBALDH1A1KDM4ECYP3A4
SCHEMBL5059113 0.83 LMNA (0.53) PTGDR2LMNAPOLBALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES PTGDR2 65/4885LMNA 4370/4885POLB 3298/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES PTGDR2 65/4885LMNA 4370/4885POLB 3298/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES PTGDR2 65/4885LMNA 4370/4885POLB 3298/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES PTGDR2 65/4885LMNA 4370/4885POLB 3298/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 PTGDR2 72/4885LMNA 3761/4885POLB 1427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.